mygalin

CHEBI:64901 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A member of the class of benzamides obtained by formal condensation of the two primary amino groups of spemidine with the carboxy groups from two molecules of 2,5-dihydroxybenzoic acid. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:22702 CHEBI:22702
CHEBI:24646 CHEBI:24646

Chemical structure

Computed structure properties
Molecular formula	C21H27N3O6
Charge	0
Average mass	417.462 Da
Monoisotopic mass	417.18999 Da
Source	ChEBI
InChIKey	LOUWELXLLQURSP-UHFFFAOYSA-N

SMILES

O=C(NCCCCNCCCNC(=O)c1cc(O)ccc1O)c1cc(O)ccc1O

InChI

InChI=1S/C21H27N3O6/c25-14-4-6-18(27)16(12-14)20(29)23-10-2-1-8-22-9-3-11-24-21(30)17-13-15(26)5-7-19(17)28/h4-7,12-13,22,25-28H,1-3,8-11H2,(H,23,29)(H,24,30)

Also called

N-[3-({4-[(2,5-dihydroxybenzoyl)amino]butyl}amino)propyl]-2,5-dihydroxybenzamide (EXACT_SYNONYM)— chebi
N1,N8-bis(2,5-dihydroxybenzoyl)spermidine (EXACT_SYNONYM)— chebi

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:33282 CHEBI:33282

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:64901`	mygalin	`antibioticmech:chebi-01bdb02c9f`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.